cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol

C10H18O2 — CID 134993276

IUPACcis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol
SMILESC=CCO[C@]1(C)CCCC[C@H]1O
InChIInChI=1S/C10H18O2/c1-3-8-12-10(2)7-5-4-6-9(10)11/h3,9,11H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyQDWZBIRPPSWIOH-NXEZZACHSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds3

About cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol

cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol (PubChem CID 134993276) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol
PubChem CID134993276
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namecis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol
SMILESC=CCO[C@]1(C)CCCC[C@H]1O
InChIInChI=1S/C10H18O2/c1-3-8-12-10(2)7-5-4-6-9(10)11/h3,9,11H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyQDWZBIRPPSWIOH-NXEZZACHSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol (CID 134993276) is cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol is C=CCO[C@]1(C)CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol?
The InChIKey is QDWZBIRPPSWIOH-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-8-12-10(2)7-5-4-6-9(10)11/h3,9,11H,1,4-8H2,2H3/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol?
cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol is sourced from PubChem (CID 134993276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).